NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5125 8.3349 116.8114 58.0122 64.5042 173.0659 8 D 4.7081 8.4205 122.0483 53.0896 42.0523 174.2669 9 F 5.2741 8.7318 115.1872 55.6447 41.9240 173.5927 10 V 4.5513 8.8052 112.4155 59.5580 35.1219 174.8495 11 V 4.8461 8.6917 123.8107 61.3453 33.9003 174.4601 12 I 4.9281 9.0244 128.4209 59.4369 40.5848 174.0803 13 K 4.9964 9.1295 129.0944 54.3357 34.4354 174.9589 14 A 4.4692 8.8643 130.2075 52.0972 19.2306 177.4912 15 L 4.6680 8.9697 122.0889 54.6948 42.6029 176.1446 16 E 4.6969 7.7069 115.3864 54.7203 32.3700 174.5170 17 D 4.3988 8.3511 119.5984 55.6610 41.3987 176.9635 18 G 3.8626 8.5565 110.0609 45.5379 0.0000 173.8699 19 V 3.7735 7.6142 119.3974 63.3133 32.8439 174.3011 20 N 5.2675 9.2716 126.0840 51.9131 41.5360 173.0381 21 V 4.5943 8.7709 127.9696 61.6622 33.2819 174.4303 22 I 4.8285 9.0115 129.7683 59.4875 39.7979 174.8078 23 G 4.2817 9.1749 115.2366 44.8816 0.0000 172.3801 24 L 5.4311 8.7709 125.4295 52.9161 44.2488 176.2059 25 T 4.5434 8.8134 114.5155 61.7557 69.2799 174.3027 26 R 4.3259 7.8528 126.1682 56.7803 30.6863 174.9936 27 G 3.7344 8.7472 109.1263 44.1311 0.0000 173.9561 28 A 4.0728 8.6249 121.3050 54.3166 18.6896 177.8274 29 D 4.8914 7.2226 111.6559 53.0932 42.6677 176.0950 30 T 4.7630 8.2748 118.4971 62.0159 70.9592 173.3542 31 R 4.8811 8.6804 122.2546 54.5231 33.5367 174.2393 32 F 5.1301 8.9220 115.5431 57.2834 38.2660 174.7786 33 H 4.7510 9.0363 116.0531 56.0280 30.6445 173.4996 34 H 4.9808 7.9982 117.8393 54.9376 33.4456 171.9088 35 S 4.9522 8.3991 118.8635 56.4960 64.8895 172.3091 36 E 4.6118 9.2023 129.2872 54.4265 31.4213 174.6322 37 K 4.9028 8.6556 126.7182 55.4819 33.7596 176.0964 38 L 4.9548 8.9494 124.4805 53.1213 44.8700 176.0421 39 D 4.9956 9.2568 123.1596 52.6004 43.1908 175.9729 40 K 4.0367 9.5952 123.1967 58.1106 32.3912 177.3483 41 G 4.0022 9.0662 115.5207 45.1723 0.0000 173.5255 42 E 4.2558 8.1569 119.8185 56.2785 30.8078 176.0045 43 V 4.9199 8.2906 121.8636 61.0102 34.4471 174.2041 44 L 4.7804 9.0307 129.5769 53.2538 44.8435 174.8181 45 I 5.0804 8.4827 126.2193 59.5871 39.3363 174.7332 46 A 4.7170 8.9579 128.9279 50.1526 21.9884 175.3711 47 Q 4.8109 8.6730 121.0089 55.0548 30.3931 175.7619 48 F 4.7035 8.3746 120.3875 57.9610 39.4454 175.3272 49 T 4.7017 8.9271 111.2052 60.2044 71.8421 173.8239 50 E 4.1481 8.9691 120.9714 59.3663 29.7278 177.4206 51 H 4.5692 7.8599 114.8730 56.0334 29.9904 174.1440 52 T 5.3315 8.1895 116.8550 61.9009 70.8986 174.4478 53 S 5.0385 8.9651 119.7482 57.9827 64.7847 173.4039 54 A 5.0584 7.8774 121.1628 51.2739 22.4958 175.2807 55 I 5.0261 8.5566 120.4821 59.3603 41.0157 174.7368 56 K 4.6332 9.1584 127.6515 54.4955 35.1438 174.6119 57 V 4.8285 8.4358 126.3540 61.1990 33.5992 174.5761 58 R 4.5530 9.0661 126.8640 55.6011 33.0686 176.2214 59 G 4.0187 8.9541 108.6135 44.1384 0.0000 172.6510 60 K 4.5173 9.3804 120.6174 56.2184 32.9233 175.6153 61 A 5.1562 8.8981 128.4871 50.7000 23.5459 173.5533 62 Y 4.8899 9.0032 120.9020 55.9724 41.0259 174.5654 63 I 5.0361 8.3851 127.3894 59.5521 40.6955 174.4394 64 Q 5.0519 9.0371 125.4640 54.4381 31.9506 174.9424 65 T 4.6904 8.6043 112.9692 59.8343 72.3098 174.4874 66 R 3.7577 8.4871 120.1999 59.5197 30.0438 176.8728 67 H 4.6024 7.8852 112.9287 55.4245 29.4818 173.8999 68 G 3.7283 7.2370 105.9400 44.0656 0.0000 172.5464 69 V 4.5188 8.0528 119.7026 61.6580 33.0557 176.4238 70 I 4.6757 8.4027 125.8922 59.4690 42.0881 173.1908 71 E 5.1277 8.5887 125.1915 54.5133 32.4548 175.8445 72 S 4.7211 8.6535 118.6920 57.5704 65.4157 172.8858 73 E 4.9230 8.5474 119.6779 54.6113 32.8411 176.0793 74 G 3.9323 8.6208 111.8730 44.0631 0.0000 173.9385 75 K 4.0633 8.5132 117.6799 56.7688 32.0139 177.2519 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 7 S 8.33 4.51 0.00 4.05 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.42 4.71 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.73 5.27 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.81 4.55 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.85 0.00 0.00 11 V 8.69 4.85 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.18 0.00 0.00 12 I 9.02 4.93 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.70 0.93 0.00 0.00 13 K 9.13 5.00 0.00 1.86 1.76 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.37 7.81 14 A 8.86 4.47 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.97 4.67 0.00 1.67 1.72 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.71 4.70 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 17 D 8.35 4.40 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.56 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.61 3.77 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.05 0.00 0.00 20 N 9.27 5.27 0.00 2.72 2.57 0.00 0.00 6.56 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.77 4.59 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.93 0.00 0.00 22 I 9.01 4.83 1.91 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.71 0.84 0.00 0.00 23 G 9.17 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.77 5.43 0.00 1.78 1.66 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.81 4.54 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 26 R 7.85 4.33 0.00 1.90 1.96 0.00 3.25 0.00 0.00 3.07 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.43 0.00 27 G 8.75 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.62 4.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.22 4.89 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.27 4.76 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 31 R 8.68 4.88 0.00 1.86 1.99 0.00 2.66 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 32 F 8.92 5.13 0.00 3.12 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 9.04 4.75 0.00 3.08 3.42 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.00 4.98 0.00 3.33 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.40 4.95 0.00 3.63 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.20 4.61 0.00 2.19 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 37 K 8.66 4.90 0.00 1.67 1.70 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.42 7.81 38 L 8.95 4.95 0.00 1.52 1.53 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.26 5.00 0.00 2.89 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 9.60 4.04 0.00 1.67 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.41 7.81 41 G 9.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.16 4.26 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 43 V 8.29 4.92 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 44 L 9.03 4.78 0.00 1.76 1.47 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.48 5.08 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 0.78 0.00 0.00 46 A 8.96 4.72 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.67 4.81 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 48 F 8.37 4.70 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.93 4.70 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 50 E 8.97 4.15 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.27 0.00 51 H 7.86 4.57 0.00 3.45 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.19 5.33 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 53 S 8.97 5.04 0.00 3.87 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.88 5.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.56 5.03 1.87 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.72 0.88 0.00 0.00 56 K 9.16 4.63 0.00 1.80 1.60 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.34 7.81 57 V 8.44 4.83 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.92 0.00 0.00 58 R 9.07 4.55 0.00 1.73 1.74 0.00 3.06 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 59 G 8.95 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.38 4.52 0.00 1.82 1.73 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.90 5.16 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.00 4.89 0.00 3.02 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.39 5.04 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.57 0.91 0.00 0.00 64 Q 9.04 5.05 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 65 T 8.60 4.69 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 66 R 8.49 3.76 0.00 1.60 1.78 0.00 3.20 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 67 H 7.89 4.60 0.00 3.18 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.24 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.05 4.52 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.85 0.00 0.00 70 I 8.40 4.68 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.32 0.85 0.00 0.00 71 E 8.59 5.13 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.14 0.00 72 S 8.65 4.72 0.00 3.92 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.55 4.92 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 74 G 8.62 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.51 4.06 0.00 1.75 1.75 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.44 7.81